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N'-[(2Z)-3-烯丙基-4-氧代-1,3-噻唑烷-2-亚基]-5-氟-3-苯基-1H-吲哚-2-碳酰肼

N'-[(2Z)-3-Allyl-4-oxo-1,3-thia-zolidin-2-yl-idene]-5-fluoro-3-phenyl-1H-indole-2-carbohydrazide.

作者信息

Akkurt Mehmet, Karaca Selvi, Cihan Gökçe, Capan Gültaze, Büyükgüngör Orhan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 8;65(Pt 5):o1009-10. doi: 10.1107/S1600536809012677.

Abstract

In the title compound, C(21)H(17)FN(4)O(2)S, the planar indole fused-ring [maximum deviation 0.009 (1) Å] makes dihedral angles of 54.75 (9) and 14.90 (9)°, respectively, with the phenyl ring and the dihydro-thia-zolyl ring. The -CH2CH=CH(2) substituent is disordered over two positions in a 0.51 (1):0.49 (1) ratio. An intra-molecular N-H⋯S hydrogen bond generates an S(5) ring motif. The two independent mol-ecules are linked into a dimer by two N-H⋯O hydrogen bonds, forming an R(2) (2)(10) ring motif. The crystal structure features inter-molecular C-H⋯π and π-π stacking [centroid-centroid distance = 3.679 (1) Å] inter-actions. C-H⋯O and C-H⋯F inter-actions are also present.

摘要

在标题化合物C₂₁H₁₇FN₄O₂S中,平面吲哚稠环[最大偏差0.009 (1) Å]与苯环和二氢噻唑环分别形成54.75 (9)°和14.90 (9)°的二面角。-CH₂CH=CH₂取代基在两个位置上无序分布,比例为0.51 (1):0.49 (1)。分子内N-H⋯S氢键形成一个S(5)环模式。两个独立的分子通过两个N-H⋯O氢键连接成二聚体,形成一个R₂²(10)环模式。晶体结构具有分子间C-H⋯π和π-π堆积[质心-质心距离 = 3.679 (1) Å]相互作用。还存在C-H⋯O和C-H⋯F相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/800d/2977697/586073a263b7/e-65-o1009-fig1.jpg

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